General Information of the Compound
| Compound ID |
CP0969079
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| Compound Name |
7-(3-(benzyloxy)phenyl)-1-(pyrrolidin-1-yl)hept-6-en-1-one
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| Structure |
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| Formula |
C24H29NO2
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| Molecular Weight |
363.501
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| Canonical SMILES |
O=C(CCCC/C=C/c1cccc(OCc2ccccc2)c1)N1CCCC1
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| InChI |
InChI=1S/C24H29NO2/c26-24(25-17-8-9-18-25)16-7-2-1-4-11-21-14-10-15-23(19-21)27-20-22-12-5-3-6-13-22/h3-6,10-15,19H,1-2,7-9,16-18,20H2/b11-4+
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| InChIKey |
QKDOASUFSHLOTI-NYYWCZLTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound